Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.53 |
| ▸ | FYN | P06241 | 11/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.42 |
| ▸ | CDK2 | P24941 | 5/20 | 0.42 |
| ▸ | CCND1 | P24385 | 2/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCND3 | P30281 | 1/20 | 0.42 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL624393 | 0.91 | FYN (0.46) | PIK3CAFYNCCNE1CDK2CCND1 | |
| SCHEMBL625860 | 0.89 | GPR119 (0.47) | PIK3CAFYNHASPIN | |
| SCHEMBL626206 | 0.86 | PIK3CA (0.53) | PIK3CAFYNHASPIN | |
| SCHEMBL626704 | 0.85 | CCNE1 (0.43) | PIK3CACCNE1CDK2CCND1CDK6 | |
| SCHEMBL626164 | 0.81 | FYN (0.51) | FYNCCNE1CDK2CCND1CDK6 | |
| SCHEMBL625753 | 0.77 | PIK3CA (0.49) | PIK3CAFYNHASPIN | |
| SCHEMBL624394 | 0.77 | CCNE1 (0.41) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL626171 | 0.77 | FYN (0.54) | FYNHASPIN | |
| SCHEMBL625861 | 0.75 | GPR119 (0.46) | CCNE1CDK2CCND1CDK6CDK1 | |
| SCHEMBL624430 | 0.74 | FYN (0.72) | PIK3CAFYNHASPIN |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012020215-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |